6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine

C60H46F7N23S — CID 163849660

IUPAC6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESCn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)cn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ncc(-c5cnn(C6CC6)c5)cn34)c(F)cc2n1.Nc1nc2cc(F)c(Cc3nnc4ccc(-c5cnn(C6CC6)c5)nn34)cc2s1
InChIInChI=1S/C21H16F3N7.C20H15F3N8.C19H15FN8S/c1-29-9-13-6-16(17(22)7-18(13)28-29)21(23,24)20-27-26-19-5-2-12(10-30(19)20)14-8-25-31(11-14)15-3-4-15;1-29-8-11-4-15(16(21)5-17(11)28-29)20(22,23)18-26-27-19-24-6-12(9-30(18)19)13-7-25-31(10-13)14-2-3-14;20-13-7-15-16(29-19(21)23-15)5-10(13)6-18-25-24-17-4-3-14(26-28(17)18)11-8-22-27(9-11)12-1-2-12/h2,5-11,15H,3-4H2,1H3;4-10,14H,2-3H2,1H3;3-5,7-9,12H,1-2,6H2,(H2,21,23)
InChIKeyOTGITJYVJSEQLL-UHFFFAOYSA-N
MW1254.24 g/mol
LogP10.83
Rot. Bonds12

About 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine

6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 163849660) has the molecular formula C60H46F7N23S and a molecular weight of 1254.24 g/mol. Its IUPAC name is 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID163849660
Molecular FormulaC60H46F7N23S
Molecular Weight1254.24 g/mol
Exact Mass1253.39
IUPAC Name6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESCn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)cn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ncc(-c5cnn(C6CC6)c5)cn34)c(F)cc2n1.Nc1nc2cc(F)c(Cc3nnc4ccc(-c5cnn(C6CC6)c5)nn34)cc2s1
InChIInChI=1S/C21H16F3N7.C20H15F3N8.C19H15FN8S/c1-29-9-13-6-16(17(22)7-18(13)28-29)21(23,24)20-27-26-19-5-2-12(10-30(19)20)14-8-25-31(11-14)15-3-4-15;1-29-8-11-4-15(16(21)5-17(11)28-29)20(22,23)18-26-27-19-24-6-12(9-30(18)19)13-7-25-31(10-13)14-2-3-14;20-13-7-15-16(29-19(21)23-15)5-10(13)6-18-25-24-17-4-3-14(26-28(17)18)11-8-22-27(9-11)12-1-2-12/h2,5-11,15H,3-4H2,1H3;4-10,14H,2-3H2,1H3;3-5,7-9,12H,1-2,6H2,(H2,21,23)
InChIKeyOTGITJYVJSEQLL-UHFFFAOYSA-N
XLogP10.83
TPSA244.36 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001254.24
LogP ≤ 510.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

3-(2-Amino-1,3-Benzothiazol-6-Yl)-1-{[2-(4-Methylpiperazin-1-Yl)quinolin-3-Yl]methyl}-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 44475990
6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine
CID 118732957
6-[4-Amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515086
6-[4-Amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515004
6-[4-Amino-1-[[2-(2-methylpyrrolidin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515022
6-[4-Amino-1-[[2-(4-methylimidazol-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515028
6-[4-Amino-1-[[2-(4-propan-2-ylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515126
6-[4-Amino-1-[[2-(2-pyrrolidin-1-ylethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515131
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 158430657
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine (CID 163849660) is 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine is Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)cn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)c3nnc4ncc(-c5cnn(C6CC6)c5)cn34)c(F)cc2n1.Nc1nc2cc(F)c(Cc3nnc4ccc(-c5cnn(C6CC6)c5)nn34)cc2s1.
What is the InChIKey of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is OTGITJYVJSEQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7.C20H15F3N8.C19H15FN8S/c1-29-9-13-6-16(17(22)7-18(13)28-29)21(23,24)20-27-26-19-5-2-12(10-30(19)20)14-8-25-31(11-14)15-3-4-15;1-29-8-11-4-15(16(21)5-17(11)28-29)20(22,23)18-26-27-19-24-6-12(9-30(18)19)13-7-25-31(10-13)14-2-3-14;20-13-7-15-16(29-19(21)23-15)5-10(13)6-18-25-24-17-4-3-14(26-28(17)18)11-8-22-27(9-11)12-1-2-12/h2,5-11,15H,3-4H2,1H3;4-10,14H,2-3H2,1H3;3-5,7-9,12H,1-2,6H2,(H2,21,23).
What are the key properties of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine?
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 1254.24 g/mol, XLogP of 10.83, 12 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 163849660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).